2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-N-prop-2-enylacetamide

C10H11N5O2 — CID 22160345

IUPAC2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)Cc1cc(=O)n2[nH]cnc2n1
InChIInChI=1S/C10H11N5O2/c1-2-3-11-8(16)4-7-5-9(17)15-10(14-7)12-6-13-15/h2,5-6H,1,3-4H2,(H,11,16)(H,12,13,14)
InChIKeyOBKNELWXBCQKLF-UHFFFAOYSA-N
MW233.23 g/mol
LogP-0.74
Rot. Bonds4

About 2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-N-prop-2-enylacetamide

2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-N-prop-2-enylacetamide (PubChem CID 22160345) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is 2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-N-prop-2-enylacetamide
PubChem CID22160345
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC Name2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)Cc1cc(=O)n2[nH]cnc2n1
InChIInChI=1S/C10H11N5O2/c1-2-3-11-8(16)4-7-5-9(17)15-10(14-7)12-6-13-15/h2,5-6H,1,3-4H2,(H,11,16)(H,12,13,14)
InChIKeyOBKNELWXBCQKLF-UHFFFAOYSA-N
XLogP-0.74
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminoethyl)-2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetamide
CID 19105890
N-ethyl-2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetamide
CID 20578701
N-ethyl-2-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)propanamide
CID 22160344
N-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]acetamide
CID 22160351
2-(7-Hydroxy-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-N,N-dipropylacetamide
CID 22160352
2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-N,N-bis(prop-2-enyl)acetamide
CID 22160353
2-(7-oxo-2-prop-2-enyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-N-prop-2-enylacetamide
CID 22160359
N-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]but-3-enamide
CID 22160362
2-[2-(dimethylamino)-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]-N-prop-2-enylacetamide
CID 22160363
2-(6-cyano-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-N,N-bis(prop-2-enyl)acetamide
CID 22160365
2-(7-Oxo-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-N-propylacetamide
CID 22160367
2-(5-oxo-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)-N,N-bis(prop-2-enyl)acetamide
CID 22160371

Frequently Asked Questions

What is the IUPAC name of 2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-N-prop-2-enylacetamide?
The IUPAC name of 2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-N-prop-2-enylacetamide (CID 22160345) is 2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-N-prop-2-enylacetamide?
The canonical SMILES for 2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-N-prop-2-enylacetamide is C=CCNC(=O)Cc1cc(=O)n2[nH]cnc2n1.
What is the InChIKey of 2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-N-prop-2-enylacetamide?
The InChIKey is OBKNELWXBCQKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2/c1-2-3-11-8(16)4-7-5-9(17)15-10(14-7)12-6-13-15/h2,5-6H,1,3-4H2,(H,11,16)(H,12,13,14).
What are the key properties of 2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-N-prop-2-enylacetamide?
2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-N-prop-2-enylacetamide has a molecular weight of 233.23 g/mol, XLogP of -0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-N-prop-2-enylacetamide is sourced from PubChem (CID 22160345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).